N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide

C21H18F3N3O3 — CID 86875456

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide
SMILESCC(=O)N1CCCc2cc(NC(=O)c3cc4ccc(OC(F)(F)F)cc4[nH]3)ccc21
InChIInChI=1S/C21H18F3N3O3/c1-12(28)27-8-2-3-14-9-15(5-7-19(14)27)25-20(29)18-10-13-4-6-16(11-17(13)26-18)30-21(22,23)24/h4-7,9-11,26H,2-3,8H2,1H3,(H,25,29)
InChIKeyQNFYMJVIYDNZDY-UHFFFAOYSA-N
MW417.39 g/mol
LogP4.62
Rot. Bonds3

About N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide

N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide (PubChem CID 86875456) has the molecular formula C21H18F3N3O3 and a molecular weight of 417.39 g/mol. Its IUPAC name is N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide
PubChem CID86875456
Molecular FormulaC21H18F3N3O3
Molecular Weight417.39 g/mol
Exact Mass417.13
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide
SMILESCC(=O)N1CCCc2cc(NC(=O)c3cc4ccc(OC(F)(F)F)cc4[nH]3)ccc21
InChIInChI=1S/C21H18F3N3O3/c1-12(28)27-8-2-3-14-9-15(5-7-19(14)27)25-20(29)18-10-13-4-6-16(11-17(13)26-18)30-21(22,23)24/h4-7,9-11,26H,2-3,8H2,1H3,(H,25,29)
InChIKeyQNFYMJVIYDNZDY-UHFFFAOYSA-N
XLogP4.62
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3,5-dimethoxybenzamide
CID 7656241
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-chloro-2-fluoroacetamide
CID 166427902
6-methyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 170101789
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-(hydroxymethyl)benzamide
CID 155952648
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-2-methylpropanamide;hydrochloride
CID 119312863
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651
1-[6-(2-fluoropropylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 71698231
2,2-dimethyl-3-oxo-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]propanenitrile
CID 60530285
(6-methoxy-1H-indol-2-yl)-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 52724167
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 94652955
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylphenoxy)acetamide
CID 7656394
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 86881883

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide (CID 86875456) is N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide is CC(=O)N1CCCc2cc(NC(=O)c3cc4ccc(OC(F)(F)F)cc4[nH]3)ccc21.
What is the InChIKey of N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide?
The InChIKey is QNFYMJVIYDNZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O3/c1-12(28)27-8-2-3-14-9-15(5-7-19(14)27)25-20(29)18-10-13-4-6-16(11-17(13)26-18)30-21(22,23)24/h4-7,9-11,26H,2-3,8H2,1H3,(H,25,29).
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide has a molecular weight of 417.39 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide is sourced from PubChem (CID 86875456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).